ALLOPREGNAN-20.BETA.-OL-3-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O2
Molecular Weight	318.4935
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNAN-20.BETA.-OL-3-ONE

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)O

InChI

InChIKey=DYVGYXXLXQESJE-XPLLOJBJSA-N

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14+,16+,17-,18+,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H34O2
Molecular Weight	318.4935
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:16:52 GMT 2023` Edited by `admin` on `Sat Dec 16 09:16:52 GMT 2023`
Record UNII	556HK348QM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLOPREGNAN-20.BETA.-OL-3-ONE

Common Name

English

ALLOPREGNAN-20.BETA.-OL-3-ONE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m1540